N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S2/c1-3-12(2)21-29(26,27)14-10-8-13(9-11-14)19-18(28)20-17(23)15-6-4-5-7-16(15)22(24)25/h4-12,21H,3H2,1-2H3,(H2,19,20,23,28)